3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(2-morpholinoethyl)benzamide CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(2-morpholinoethyl)benzamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NCCN4CCOCC4)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NCCN4CCOCC4)C5=NC(=NC=C5)N

InChI

InChI=1S/C27H29N5O2S/c1-18-22-17-20(5-6-24(22)35-25(18)23-7-8-30-27(28)31-23)15-19-3-2-4-21(16-19)26(33)29-9-10-32-11-13-34-14-12-32/h2-8,16-17H,9-15H2,1H3,(H,29,33)(H2,28,30,31)